2-[[5-(3,4-dimethylphenyl)furan-2-carbonyl]amino]acetic acid

C15H15NO4 — CID 82124001

IUPAC2-[[5-(3,4-dimethylphenyl)furan-2-carbonyl]amino]acetic acid
SMILESCc1ccc(-c2ccc(C(=O)NCC(=O)O)o2)cc1C
InChIInChI=1S/C15H15NO4/c1-9-3-4-11(7-10(9)2)12-5-6-13(20-12)15(19)16-8-14(17)18/h3-7H,8H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyGETOAYZILPZBAY-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.38
Rot. Bonds4

About 2-[[5-(3,4-dimethylphenyl)furan-2-carbonyl]amino]acetic acid

2-[[5-(3,4-dimethylphenyl)furan-2-carbonyl]amino]acetic acid (PubChem CID 82124001) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[[5-(3,4-dimethylphenyl)furan-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-(3,4-dimethylphenyl)furan-2-carbonyl]amino]acetic acid
PubChem CID82124001
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name2-[[5-(3,4-dimethylphenyl)furan-2-carbonyl]amino]acetic acid
SMILESCc1ccc(-c2ccc(C(=O)NCC(=O)O)o2)cc1C
InChIInChI=1S/C15H15NO4/c1-9-3-4-11(7-10(9)2)12-5-6-13(20-12)15(19)16-8-14(17)18/h3-7H,8H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyGETOAYZILPZBAY-UHFFFAOYSA-N
XLogP2.38
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)furan-2-carboxamide
CID 82121160
2-[[5-(4-ethylphenyl)furan-2-carbonyl]amino]acetic acid
CID 82124004
N-(4-chlorophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 4031207
2-[[2-(3,4-dimethylphenyl)acetyl]amino]acetic acid
CID 60657051
5-(3,4-dimethylphenyl)-N-(4-iodo-2-methylphenyl)furan-2-carboxamide
CID 4309569
2-[[5-(3-chloro-5-fluorophenyl)furan-2-carbonyl]amino]acetic acid
CID 176914450
N-(4-butylphenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3628910
N-[4-(diethylamino)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 4281117
5-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-methylfuran-2-carboxamide
CID 94282373
5-(3,4-dimethylphenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide
CID 4537752
5-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 4002543
2-[[5-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)furan-2-carbonyl]amino]acetic acid
CID 166379250

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3,4-dimethylphenyl)furan-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[5-(3,4-dimethylphenyl)furan-2-carbonyl]amino]acetic acid (CID 82124001) is 2-[[5-(3,4-dimethylphenyl)furan-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[5-(3,4-dimethylphenyl)furan-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[5-(3,4-dimethylphenyl)furan-2-carbonyl]amino]acetic acid is Cc1ccc(-c2ccc(C(=O)NCC(=O)O)o2)cc1C.
What is the InChIKey of 2-[[5-(3,4-dimethylphenyl)furan-2-carbonyl]amino]acetic acid?
The InChIKey is GETOAYZILPZBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-9-3-4-11(7-10(9)2)12-5-6-13(20-12)15(19)16-8-14(17)18/h3-7H,8H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 2-[[5-(3,4-dimethylphenyl)furan-2-carbonyl]amino]acetic acid?
2-[[5-(3,4-dimethylphenyl)furan-2-carbonyl]amino]acetic acid has a molecular weight of 273.29 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3,4-dimethylphenyl)furan-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 82124001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).